5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

C17H13BrN2O2 — CID 174167920

IUPAC5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3ccc(Br)c4cccc2c34)C(=O)N1
InChIInChI=1S/C17H13BrN2O2/c1-9-5-8-14(16(21)19-9)20-13-4-2-3-10-12(18)7-6-11(15(10)13)17(20)22/h2-4,6-7,14H,1,5,8H2,(H,19,21)
InChIKeyGEWCOENZDVCMTO-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.35
Rot. Bonds1

About 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one

5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (PubChem CID 174167920) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
PubChem CID174167920
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
SMILESC=C1CCC(N2C(=O)c3ccc(Br)c4cccc2c34)C(=O)N1
InChIInChI=1S/C17H13BrN2O2/c1-9-5-8-14(16(21)19-9)20-13-4-2-3-10-12(18)7-6-11(15(10)13)17(20)22/h2-4,6-7,14H,1,5,8H2,(H,19,21)
InChIKeyGEWCOENZDVCMTO-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167936
5-(aminomethyl)-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one
CID 174167904
7-(5-bromo-2-oxobenzo[cd]indol-1-yl)-2-oxa-5-azaspiro[3.5]nonan-6-one
CID 163258996
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
4-(azetidin-1-yl)-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 177002953
3-(6-methyl-1,3-dimethylidenebenzo[de]isoquinolin-2-yl)-6-methylidenepiperidin-2-one
CID 171106473
3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259069
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The IUPAC name of 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one (CID 174167920) is 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one.
What is the SMILES notation for 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The canonical SMILES for 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is C=C1CCC(N2C(=O)c3ccc(Br)c4cccc2c34)C(=O)N1.
What is the InChIKey of 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
The InChIKey is GEWCOENZDVCMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-9-5-8-14(16(21)19-9)20-13-4-2-3-10-12(18)7-6-11(15(10)13)17(20)22/h2-4,6-7,14H,1,5,8H2,(H,19,21).
What are the key properties of 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one?
5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one has a molecular weight of 357.21 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one is sourced from PubChem (CID 174167920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).